2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol

C10H21NO2S — CID 106247252

IUPAC2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
SMILESCSCC(C)(O)CNC1CCCC1O
InChIInChI=1S/C10H21NO2S/c1-10(13,7-14-2)6-11-8-4-3-5-9(8)12/h8-9,11-13H,3-7H2,1-2H3
InChIKeyIMGBBBZIAHMDCY-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.60
Rot. Bonds5

About 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol (PubChem CID 106247252) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
PubChem CID106247252
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
SMILESCSCC(C)(O)CNC1CCCC1O
InChIInChI=1S/C10H21NO2S/c1-10(13,7-14-2)6-11-8-4-3-5-9(8)12/h8-9,11-13H,3-7H2,1-2H3
InChIKeyIMGBBBZIAHMDCY-UHFFFAOYSA-N
XLogP0.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
The IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol (CID 106247252) is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol is CSCC(C)(O)CNC1CCCC1O.
What is the InChIKey of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
The InChIKey is IMGBBBZIAHMDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(13,7-14-2)6-11-8-4-3-5-9(8)12/h8-9,11-13H,3-7H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol?
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol has a molecular weight of 219.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 106247252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).